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(4R*,5R,RS)-Ethyl N-(tert-butanesulfinyl)-5-amino-7-methyl-4-nitrooctanoate
SpectraBase Compound ID IuWOp0M1Eqy
InChI InChI=1S/C15H30N2O5S/c1-7-22-14(18)9-8-13(17(19)20)12(10-11(2)3)16-23(21)15(4,5)6/h11-13,16H,7-10H2,1-6H3/t12-,13?,23?/m1/s1
InChIKey YSTXYEDSDIYVNA-SGCYVFFISA-N
Mol Weight 350.47 g/mol
Molecular Formula C15H30N2O5S
Exact Mass 350.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uz10r720W
Name (4R*,5R,RS)-Ethyl N-(tert-butanesulfinyl)-5-amino-7-methyl-4-nitrooctanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H30N2O5S
InChI InChI=1S/C15H30N2O5S/c1-7-22-14(18)9-8-13(17(19)20)12(10-11(2)3)16-23(21)15(4,5)6/h11-13,16H,7-10H2,1-6H3/t12-,13?,23?/m1/s1
InChIKey YSTXYEDSDIYVNA-SGCYVFFISA-N
Literature Reference DOI 10.3987/COM-14-S(K)103
Molecular Weight 350.474 g/mol
SMILES N([C@@](C(CCC(OCC)=O)[N+](=O)[O-])(CC(C)C)[H])[S@@](C(C)(C)C)=O
SPLASH splash10-00xr-5900000000-115ad6ab999ec53846d7
Source of Spectrum H1-90-1427-9bb
Synonyms (5R)-ethyl 5-((R)-1,1-dimethylethylsulfinamido)-7-methyl-4-nitrooctanoate
Wiley ID 1755501